3-methoxy-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[2-(4-benzoyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[2-(4-benzoylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C30H28N4O3S MolecularWeight: 524.63332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC=C3N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O3S/c1-37-27-20-23-12-6-5-11-22(23)19-24(27)28(35)32-30(38)31-25-13-7-8-14-26(25)33-15-17-34(18-16-33)29(36)21-9-3-2-4-10-21/h2-14,19-20H,15-18H2,1H3,(H2,31,32,35,38)